MoS
x
Se2–x
emerges as a potent alternative
to Pt-based electrodes in
the electrochemical hydrogen evolution reaction (HER), although its
practical application is hindered by suboptimal synthetic methods.
Herein, a KSCN molten salt strategy is introduced, enabling the straightforward
synthesis of MoS
x
Se2–x
at a modest temperature of 320 °C through a
one-step heating process involving Se powder and Na2MoO4 in a muffle furnace. It is elucidated that MoO4
2– facilitates the decomposition of KSCN to S2–, which subsequently activates Se powder, culminating
in the formation of the Se
x
S2– polyanion. This polyanion then interacts with MoO4
2–, yielding MoS
x
Se2–x
characterized by a profusion of
anion vacancies. This is attributed to the introduction of Se heteroatoms,
causing lattice distortion and the substantial steric hindrance of
Se
x
S2–, limiting crystal
growth. Theoretical analyses indicate that the presence of Se atoms
and anion vacancies collaboratively modulates the electronic structure
of MoS
x
Se2–x
. This results in a minimized band gap of 0.88 eV and an almost
zero ΔG
H* of 0.09 eV in the optimized
MoS1.5Se0.5. Consequently, MoS1.5Se0.5 exhibits remarkable HER performance, characterized
by a low η10 of 103 mV and a minimal Tafel slope
of 33 mV dec–1, alongside robust stability. This
research not only unveils a potent electrocatalyst for HER but also
introduces a simplified synthesis strategy for transition metal selenosulfides,
broadening their applicability across various domains.